N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide

C24H21FN6O4 — CID 1440057

IUPACN-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)c(OC)c1
InChIInChI=1S/C24H21FN6O4/c1-34-19-11-12-20(21(13-19)35-2)27-22(32)14-31-29-23(28-30-31)15-5-9-18(10-6-15)26-24(33)16-3-7-17(25)8-4-16/h3-13H,14H2,1-2H3,(H,26,33)(H,27,32)
InChIKeyVHAXNYQSGPMUID-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.39
Rot. Bonds8

About N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide

N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide (PubChem CID 1440057) has the molecular formula C24H21FN6O4 and a molecular weight of 476.47 g/mol. Its IUPAC name is N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
PubChem CID1440057
Molecular FormulaC24H21FN6O4
Molecular Weight476.47 g/mol
Exact Mass476.16
IUPAC NameN-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)c(OC)c1
InChIInChI=1S/C24H21FN6O4/c1-34-19-11-12-20(21(13-19)35-2)27-22(32)14-31-29-23(28-30-31)15-5-9-18(10-6-15)26-24(33)16-3-7-17(25)8-4-16/h3-13H,14H2,1-2H3,(H,26,33)(H,27,32)
InChIKeyVHAXNYQSGPMUID-UHFFFAOYSA-N
XLogP3.39
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
CID 1454689
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
N-[4-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]phenyl]benzamide
CID 7489526
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide (CID 1440057) is N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide is COc1ccc(NC(=O)Cn2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)c(OC)c1.
What is the InChIKey of N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide?
The InChIKey is VHAXNYQSGPMUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O4/c1-34-19-11-12-20(21(13-19)35-2)27-22(32)14-31-29-23(28-30-31)15-5-9-18(10-6-15)26-24(33)16-3-7-17(25)8-4-16/h3-13H,14H2,1-2H3,(H,26,33)(H,27,32).
What are the key properties of N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide?
N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide has a molecular weight of 476.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 1440057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).